(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione

C14H14N4O2 — CID 70910719

IUPAC(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCn1cncc1-c1ccc([C@@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N4O2/c1-14(12(19)16-13(20)17-14)10-5-3-9(4-6-10)11-7-15-8-18(11)2/h3-8H,1-2H3,(H2,16,17,19,20)/t14-/m1/s1
InChIKeyNWBSOPBCNRNMFC-CQSZACIVSA-N
MW270.29 g/mol
LogP1.14
Rot. Bonds2

About (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 70910719) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
PubChem CID70910719
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione
SMILESCn1cncc1-c1ccc([C@@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H14N4O2/c1-14(12(19)16-13(20)17-14)10-5-3-9(4-6-10)11-7-15-8-18(11)2/h3-8H,1-2H3,(H2,16,17,19,20)/t14-/m1/s1
InChIKeyNWBSOPBCNRNMFC-CQSZACIVSA-N
XLogP1.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
N-Butyl-N'-(1-methyl-5-p-tolyl-1H-imidazol-2-yl)-succinamide
CID 656092
N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamide
CID 1096812
7-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-5-ol
CID 2768306
1-[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylcarbamoyl)-methyl]-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12004616
1-[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylcarbamoyl)-methyl]-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005740
1-[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylcarbamoyl)-methyl]-3-(4-fluoro-phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005762
3-benzyl-1-[(3-methylimidazol-4-yl)methyl]-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazolidine-2,4-dione
CID 44282642
3-(3-(1H-imidazol-5-yl)propyl)-5-methyl-5-(naphthalen-1-yl)imidazolidine-2,4-dione
CID 44409696
3-[4-(4-methylphenyl)phenyl]-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 49781063
methyl N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamate
CID 156016664
methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 53258394

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione (CID 70910719) is (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione is Cn1cncc1-c1ccc([C@@]2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is NWBSOPBCNRNMFC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-14(12(19)16-13(20)17-14)10-5-3-9(4-6-10)11-7-15-8-18(11)2/h3-8H,1-2H3,(H2,16,17,19,20)/t14-/m1/s1.
What are the key properties of (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[4-(3-methylimidazol-4-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70910719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).